[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid

C21H22FN3O6 — CID 22274336

IUPAC[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C(CO)NC(=O)O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN3O6/c1-12(27)23-9-16-10-25(21(30)31-16)15-6-7-17(18(22)8-15)13-2-4-14(5-3-13)19(11-26)24-20(28)29/h2-8,16,19,24,26H,9-11H2,1H3,(H,23,27)(H,28,29)
InChIKeyJALNMJMDSUELCZ-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.26
Rot. Bonds7

About [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid

[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid (PubChem CID 22274336) has the molecular formula C21H22FN3O6 and a molecular weight of 431.42 g/mol. Its IUPAC name is [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid
PubChem CID22274336
Molecular FormulaC21H22FN3O6
Molecular Weight431.42 g/mol
Exact Mass431.15
IUPAC Name[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C(CO)NC(=O)O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN3O6/c1-12(27)23-9-16-10-25(21(30)31-16)15-6-7-17(18(22)8-15)13-2-4-14(5-3-13)19(11-26)24-20(28)29/h2-8,16,19,24,26H,9-11H2,1H3,(H,23,27)(H,28,29)
InChIKeyJALNMJMDSUELCZ-UHFFFAOYSA-N
XLogP2.26
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240050
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxooxazolidin-3-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862243
N-[[(5S)-3-[4-[4-[(diaminomethylideneamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 52943501
N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 164623315
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
CID 11361985
N-((S)-3-{4-[(Z)-2-Bromo-2-(3-hydroxymethyl-phenyl)-vinyl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10298409
N-[[(5S)-3-[3-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57545489
N-[3-(2-Fluoro-4'-hydroxymethyl-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 21907449
2-(4-fluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67238909

Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid?
The IUPAC name of [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid (CID 22274336) is [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid.
What is the SMILES notation for [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid?
The canonical SMILES for [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid is CC(=O)NCC1CN(c2ccc(-c3ccc(C(CO)NC(=O)O)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid?
The InChIKey is JALNMJMDSUELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O6/c1-12(27)23-9-16-10-25(21(30)31-16)15-6-7-17(18(22)8-15)13-2-4-14(5-3-13)19(11-26)24-20(28)29/h2-8,16,19,24,26H,9-11H2,1H3,(H,23,27)(H,28,29).
What are the key properties of [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid?
[1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid has a molecular weight of 431.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-2-hydroxyethyl]carbamic acid is sourced from PubChem (CID 22274336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).